N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine

C16H25N3O2 — CID 43733213

IUPACN-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCCc1ccc(NC2CC(C)N(C)CC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O2/c1-5-13-6-7-14(9-16(13)19(20)21)17-15-8-12(3)18(4)10-11(15)2/h6-7,9,11-12,15,17H,5,8,10H2,1-4H3
InChIKeyWEWTYUKLNJHEKC-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.30
Rot. Bonds4

About N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine

N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 43733213) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID43733213
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCCc1ccc(NC2CC(C)N(C)CC2C)cc1[N+](=O)[O-]
InChIInChI=1S/C16H25N3O2/c1-5-13-6-7-14(9-16(13)19(20)21)17-15-8-12(3)18(4)10-11(15)2/h6-7,9,11-12,15,17H,5,8,10H2,1-4H3
InChIKeyWEWTYUKLNJHEKC-UHFFFAOYSA-N
XLogP3.30
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 82865025
1,2,5-trimethyl-N-(2-nitrophenyl)piperidin-4-amine
CID 43718239
N-(4,5-dimethyl-2-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 62098099
N-(2,6-dimethylcyclohexyl)-4-ethyl-3-nitroaniline
CID 43733137
N-(4-chloro-3-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466441
1,2,5-trimethyl-N-(2-methyl-5-nitrophenyl)piperidin-4-amine
CID 43718577
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 65435866
N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43717361
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
N,N-diethyl-2-[4-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]acetamide
CID 75472347
N-(3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665401
[3-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]methanol
CID 43715216

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine (CID 43733213) is N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine is CCc1ccc(NC2CC(C)N(C)CC2C)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is WEWTYUKLNJHEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-13-6-7-14(9-16(13)19(20)21)17-15-8-12(3)18(4)10-11(15)2/h6-7,9,11-12,15,17H,5,8,10H2,1-4H3.
What are the key properties of N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 291.40 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 43733213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).